2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide

C16H16N4O3S — CID 53153187

IUPAC2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(=O)n(C)c(=O)c3nscc32)cc1
InChIInChI=1S/C16H16N4O3S/c1-10-3-5-11(6-4-10)7-17-13(21)8-20-12-9-24-18-14(12)15(22)19(2)16(20)23/h3-6,9H,7-8H2,1-2H3,(H,17,21)
InChIKeyNDXQQBGKBRPYJW-UHFFFAOYSA-N
MW344.40 g/mol
LogP0.78
Rot. Bonds4

About 2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide

2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 53153187) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID53153187
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(=O)n(C)c(=O)c3nscc32)cc1
InChIInChI=1S/C16H16N4O3S/c1-10-3-5-11(6-4-10)7-17-13(21)8-20-12-9-24-18-14(12)15(22)19(2)16(20)23/h3-6,9H,7-8H2,1-2H3,(H,17,21)
InChIKeyNDXQQBGKBRPYJW-UHFFFAOYSA-N
XLogP0.78
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
CID 53153180
2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 53153185
N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502382
2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(4-methylphenyl)acetamide
CID 53153267
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502441
2-[1-methyl-6-(4-methylphenyl)-5,7-dioxopyrazolo[4,5-d]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 46506608
N-[(4-methoxyphenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502426
2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 46923188
2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 26841382
2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)acetamide
CID 53153143
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 53043926
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 47095418

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 53153187) is 2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2c(=O)n(C)c(=O)c3nscc32)cc1.
What is the InChIKey of 2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is NDXQQBGKBRPYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-10-3-5-11(6-4-10)7-17-13(21)8-20-12-9-24-18-14(12)15(22)19(2)16(20)23/h3-6,9H,7-8H2,1-2H3,(H,17,21).
What are the key properties of 2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide?
2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 344.40 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 53153187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).